62936-31-6

Basic information

• Product Name: ETHYL 4-THIOMETHYLBENZOYLFORMATE
• Synonyms: ETHYL 4-THIOMETHYLBENZOYLFORMATE;(4-Methylsulfanylphenyl)oxoacetic acid ethyl ester;Ethyl 4-(methylthio)benzoylformate;Ethyl 2-(4-(methylthio)phenyl)-2-oxoacetate
• CAS NO: 62936-31-6
• Molecular Formula: C₁₁H₁₂O₃S
• Molecular Weight: 224.28
• Mol File: 62936-31-6.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 342.5 °C at 760 mmHg
• Flash Point: 163.4 °C
• Appearance: /
• Density: 1.2 g/cm³
• Vapor Pressure: 7.48E-05mmHg at 25°C
• Refractive Index: 1.555
• CAS DataBase Reference: ETHYL 4-THIOMETHYLBENZOYLFORMATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-THIOMETHYLBENZOYLFORMATE(62936-31-6)
• EPA Substance Registry System: ETHYL 4-THIOMETHYLBENZOYLFORMATE(62936-31-6)

Safety Data

• Hazardous Substances Data: 62936-31-6(Hazardous Substances Data)

Usage

General Description

Ethyl 4-thiomethylbenzoylformate is a chemical compound that is commonly used in organic synthesis and pharmaceutical research. It is a thioester derivative of benzoylformic acid and is often utilized as a building block in the construction of complex organic molecules. Ethyl 4-thiomethylbenzoylformate has a strong odor and is typically a colorless to light yellow liquid at room temperature. Its chemical structure contains an ethyl group, a thiomethyl group, and a benzoylformate group, making it a versatile reagent for a variety of chemical reactions. Ethyl 4-thiomethylbenzoylformate is also known by its chemical formula C11H12O3S and is used in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals.

InChI:InChI=1/C11H12O3S/c1-3-14-11(13)10(12)8-4-6-9(15-2)7-5-8/h4-7H,3H2,1-2H3

Upstream product

• 100-68-5 methyl-phenyl-thioether 
• 18620-04-7 4-thioanisolemagnesium bromide 
• 95-92-1 oxalic acid diethyl ester 
• 4755-77-5 Ethyl oxalyl chloride 
• 64-17-5 ethanol 
• 53066-99-2 2-(4-(methylthio)phenyl)-2-oxoacetic acid 

Downstream Products

• 94959-49-6 Cyclohexyl-<4-methylmercapto-phenyl>-glykolsaeure-aethylester 
• 53066-99-2 2-(4-(methylthio)phenyl)-2-oxoacetic acid 
• 102697-44-9 (4-Methanesulfinyl-phenyl)-oxo-acetic acid ethyl ester 
• 102697-45-0 (4-methylsulfonylphenyl)-2-oxo-acetic acid ethyl ester 
• 1082068-58-3 3-(4-hydroxyyphenyl)-4-(4-thiomethoxyphenyl)-1H-pyrrole-2,5.dione 
• 1208065-62-6 C₁₇H₁₂FNO₂S 
• 1193393-37-1 3-[(1α,3α,4α)-3,4-difluorocyclopentyl]-2-[4-(methylthio)phenyl]acrylic acid ethyl ester 
• 1361228-71-8 ethyl 2-(4-(methylthio)phenyl)butanoate 
• 189955-89-3 3-hydroxy-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]furan-2(5H)-one 
• 189954-96-9 3-(Cyclopropylmethoxy)-5.5-dimethyl-4-(4-(methylsulfonyl)phenyl)-5H-furan-2-one 
• 1082068-52-7 3-(4-methanesulfonylphenyl)-4-phenyl-1H-pyrrole-2,5.dione 
• 1033780-05-0 (E)-N-benzothiazol-2-yl-2-cyclopentyloxyimino-2-(4-methanesulfonyl-phenyl)-acetamide 
• 1033780-28-7 (E)-cyclopentyloxyimino-(4-methanesulfonyl-phenyl)-acetic acid ethyl ester 
• 1033780-29-8 (E)-cyclopentyloxyimino-(4-methanesulfonyl-phenyl)-acetic acid 

Relevant articles and documents

Three-Component Activation/Alkynylation/Cyclocondensation (AACC) Synthesis of Enhanced Emission Solvatochromic 3-Ethynylquinoxalines

2-Substituted 3-ethynylquinoxaline chromophores can be readily synthesized by a consecutive activation–alkynylation–cyclocondensation (AACC) one-pot sequence in a three-component manner. In comparison with the previously published four-component glyoxylation starting from electron-rich π-nucleophiles, the direct activation of (hetero)aryl glyoxylic acids allows the introduction of substituents that cannot be directly accessed by glyoxylation. By introducing N,N-dimethylaniline as a strong donor in the 2-position, the emission solvatochromicity of 3-ethynylquinoxalines can be considerably enhanced to cover the spectral range from blue–green to deep red–orange with a single chromophore in a relatively narrow polarity window. The diversity-oriented nature of the synthetic multicomponent reaction concept enables comprehensive investigations of structure–property relationships by Hammett correlations and Lippert–Mataga analysis, as well as the elucidation of the electronic structure of the emission solvatochromic π-conjugated donor–acceptor systems by DFT and time-dependent DFT calculations with the PBEh1PBE functional for a better reproduction of the dominant charge-transfer character of the longest wavelength absorption band.

Directing-group-assisted copper-catalyzed olefinic trifluoromethylation of electron-deficient alkenes

Assistance provided: The directing group in the title reaction not only activates the substrates but also allows the stereospecific formation of cis-trifluoromethylated products. The reaction is operationally simple and tolerates a wide variety of functional groups, thus providing an efficient method for the stereoselective synthesis of β-CF3-functionalized acrylamide derivatives. Copyright

CYCLOOXYGENASE-2 INHIBITORS

The present invention relates to lH-pyrrole or furan-2,5dione derivatives and a pharmaceutical composition for inhibiting cyclooxygenase-2(COX-2), more specifically for treating or preventing inflammation, an allergic disorder, inflammatory dermatosis, an immunologic disorder, a neurodegenerative disorder, arthritis, pain or fever comprising the same.